2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide

C22H23N3O2 — CID 17444836

IUPAC2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(22(27)24-20-9-7-17(15-23)8-10-20)25-13-11-19(12-14-25)21(26)18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3,(H,24,27)
InChIKeyHMUSNWBATUHGAP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.48
Rot. Bonds5

About 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide

2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 17444836) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID17444836
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(22(27)24-20-9-7-17(15-23)8-10-20)25-13-11-19(12-14-25)21(26)18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3,(H,24,27)
InChIKeyHMUSNWBATUHGAP-UHFFFAOYSA-N
XLogP3.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide (CID 17444836) is 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is HMUSNWBATUHGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(22(27)24-20-9-7-17(15-23)8-10-20)25-13-11-19(12-14-25)21(26)18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 17444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).